N-(6-methoxy-1-methylindazol-7-yl)-1-[4-(trifluoromethyl)-2-pyridinyl]pyrrolidine-3-sulfonamide

C19H20F3N5O3S — CID 177051952

IUPACN-(6-methoxy-1-methylindazol-7-yl)-1-[4-(trifluoromethyl)-2-pyridinyl]pyrrolidine-3-sulfonamide
SMILESCOc1ccc2cnn(C)c2c1NS(=O)(=O)C1CCN(c2cc(C(F)(F)F)ccn2)C1
InChIInChI=1S/C19H20F3N5O3S/c1-26-18-12(10-24-26)3-4-15(30-2)17(18)25-31(28,29)14-6-8-27(11-14)16-9-13(5-7-23-16)19(20,21)22/h3-5,7,9-10,14,25H,6,8,11H2,1-2H3
InChIKeyPUSGDNHOJLVBEA-UHFFFAOYSA-N
MW455.46 g/mol
LogP3.02
Rot. Bonds5

About N-(6-methoxy-1-methylindazol-7-yl)-1-[4-(trifluoromethyl)-2-pyridinyl]pyrrolidine-3-sulfonamide

N-(6-methoxy-1-methylindazol-7-yl)-1-[4-(trifluoromethyl)-2-pyridinyl]pyrrolidine-3-sulfonamide (PubChem CID 177051952) has the molecular formula C19H20F3N5O3S and a molecular weight of 455.46 g/mol. Its IUPAC name is N-(6-methoxy-1-methylindazol-7-yl)-1-[4-(trifluoromethyl)-2-pyridinyl]pyrrolidine-3-sulfonamide.

Molecular Properties

Compound NameN-(6-methoxy-1-methylindazol-7-yl)-1-[4-(trifluoromethyl)-2-pyridinyl]pyrrolidine-3-sulfonamide
PubChem CID177051952
Molecular FormulaC19H20F3N5O3S
Molecular Weight455.46 g/mol
Exact Mass455.12
IUPAC NameN-(6-methoxy-1-methylindazol-7-yl)-1-[4-(trifluoromethyl)-2-pyridinyl]pyrrolidine-3-sulfonamide
SMILESCOc1ccc2cnn(C)c2c1NS(=O)(=O)C1CCN(c2cc(C(F)(F)F)ccn2)C1
InChIInChI=1S/C19H20F3N5O3S/c1-26-18-12(10-24-26)3-4-15(30-2)17(18)25-31(28,29)14-6-8-27(11-14)16-9-13(5-7-23-16)19(20,21)22/h3-5,7,9-10,14,25H,6,8,11H2,1-2H3
InChIKeyPUSGDNHOJLVBEA-UHFFFAOYSA-N
XLogP3.02
TPSA89.35 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.46
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(6-methoxy-1-methylindazol-7-yl)-1-[4-(trifluoromethyl)-2-pyridinyl]pyrrolidine-3-sulfonamide?
The IUPAC name of N-(6-methoxy-1-methylindazol-7-yl)-1-[4-(trifluoromethyl)-2-pyridinyl]pyrrolidine-3-sulfonamide (CID 177051952) is N-(6-methoxy-1-methylindazol-7-yl)-1-[4-(trifluoromethyl)-2-pyridinyl]pyrrolidine-3-sulfonamide.
What is the SMILES notation for N-(6-methoxy-1-methylindazol-7-yl)-1-[4-(trifluoromethyl)-2-pyridinyl]pyrrolidine-3-sulfonamide?
The canonical SMILES for N-(6-methoxy-1-methylindazol-7-yl)-1-[4-(trifluoromethyl)-2-pyridinyl]pyrrolidine-3-sulfonamide is COc1ccc2cnn(C)c2c1NS(=O)(=O)C1CCN(c2cc(C(F)(F)F)ccn2)C1.
What is the InChIKey of N-(6-methoxy-1-methylindazol-7-yl)-1-[4-(trifluoromethyl)-2-pyridinyl]pyrrolidine-3-sulfonamide?
The InChIKey is PUSGDNHOJLVBEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F3N5O3S/c1-26-18-12(10-24-26)3-4-15(30-2)17(18)25-31(28,29)14-6-8-27(11-14)16-9-13(5-7-23-16)19(20,21)22/h3-5,7,9-10,14,25H,6,8,11H2,1-2H3.
What are the key properties of N-(6-methoxy-1-methylindazol-7-yl)-1-[4-(trifluoromethyl)-2-pyridinyl]pyrrolidine-3-sulfonamide?
N-(6-methoxy-1-methylindazol-7-yl)-1-[4-(trifluoromethyl)-2-pyridinyl]pyrrolidine-3-sulfonamide has a molecular weight of 455.46 g/mol, XLogP of 3.02, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methoxy-1-methylindazol-7-yl)-1-[4-(trifluoromethyl)-2-pyridinyl]pyrrolidine-3-sulfonamide is sourced from PubChem (CID 177051952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).